MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02117768

Type: Neutral
Formula: C₂₈H₂₄N₂

SMILES:

n1c-2c(CCc3c-2n(c2c3cccc2)Cc2cc(ccc2C)C)cc2c1cccc2

InChI:

InChI=1/C28H24N2/c1-18-11-12-19(2)22(15-18)17-30-26-10-6-4-8-23(26)24-14-13-21-16-20-7-3-5-9-25(20)29-27(21)28(24)30/h3-12,15-16H,13-14,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.78 kcal/mol

Physical Properties
Molecular Weight: 388.514 g/mol	logS: -7.45595	SlogP: 6.88658	Reactive groups: 0

Topological Properties
Globularity: 0.155319	Sterimol/B1: 2.50434	Sterimol/B2: 2.93985	Sterimol/B3: 5.73578
Sterimol/B4: 8.9081	Sterimol/L: 15.8172

Surface and Volume Properties
Accessible surface: 620.244	Positive charged surface: 369.75	Negative charged surface: 242.361	Volume: 399.125
Hydrophobic surface: 596.821	Hydrophilic surface: 23.423

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.